SCHEMBL4052918

SCHEMBL4052918

O=C1N=C(Nc2ccc(NS(=O)(=O)C(F)(F)F)cc2)S/C1=C\c1ccc(OCc2ccc(Cl)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 6/20 0.52
PTPN1 P18031 3/20 0.42
PPARG P37231 2/20 0.42
PPARD Q03181 1/20 0.42
AR P10275 1/20 0.40
CNR1 P21554 1/20 0.40
HPGD P15428 4/20 0.40
PPARA Q07869 2/20 0.38
MEN1 O00255 1/20 0.38
MITF O75030 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
CISD1 Q9NZ45 1/20 0.37
ENPP2 Q13822 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4052922 1.00 ALOX5 (0.52) ALOX5PTPN1PPARGPPARDAR
SCHEMBL4052876 0.92 PTPN1 (0.49) ALOX5PTPN1ARHPGDCISD1
SCHEMBL4052873 0.92 PTPN1 (0.49) ALOX5PTPN1ARHPGDCISD1
SCHEMBL4050517 0.91 HPGD (0.48) ALOX5PTPN1ARHPGD
SCHEMBL4050515 0.91 HPGD (0.48) ALOX5PTPN1ARHPGD
SCHEMBL4054941 0.91 HPGD (0.48) ALOX5PTPN1HPGDMEN1MITF
SCHEMBL4054943 0.91 HPGD (0.48) ALOX5PTPN1HPGDMEN1MITF
SCHEMBL4054032 0.91 ALOX5 (0.46) ALOX5PTPN1ARHPGDENPP2
SCHEMBL4054034 0.91 ALOX5 (0.46) ALOX5PTPN1ARHPGDENPP2
SCHEMBL4059813 0.91 ALOX5 (0.41) ALOX5PTPN1ARHPGDCISD1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009109999-A1 NOVEL PROTEIN TYROSINE PHOSPHATASE - IB INHIBITORS LUPIN LIMITED (IN) 2009-09-11 WO claimed
WO-2009109999-A1 NOVEL PROTEIN TYROSINE PHOSPHATASE - IB INHIBITORS LUPIN LIMITED (IN) 2009-09-11 WO disclosed